CID 94414

30652-21-2

Structural Information

Molecular Formula

C₈H₁₁NO₃

SMILES

CC1=C(C(=O)C=CN1CCO)O

InChI

InChI=1S/C8H11NO3/c1-6-8(12)7(11)2-3-9(6)4-5-10/h2-3,10,12H,4-5H2,1H3

InChIKey

ZJDRWNJIMXVJQG-UHFFFAOYSA-N

Compound name

3-hydroxy-1-(2-hydroxyethyl)-2-methylpyridin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 16
References: 71
Patents: 169.0739 Da
Monoisotopic Mass: -0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	170.08118	132.4
[M+Na]+	192.06312	142.4
[M-H]-	168.06662	133.0
[M+NH4]+	187.10772	150.9
[M+K]+	208.03706	139.8
[M+H-H2O]+	152.07116	126.8
[M+HCOO]-	214.07210	153.8
[M+CH3COO]-	228.08775	174.6
[M+Na-2H]-	190.04857	138.1
[M]+	169.07335	133.5
[M]-	169.07445	133.5

Literature stripe

literature stripe

Patent stripe

patents stripe